⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL486887 | 0.76 | — | — | |
| SCHEMBL9329603 | 0.50 | — | — | |
| SCHEMBL11846290 | 0.48 | — | — | |
| SCHEMBL17878214 | 0.48 | NQO1 (0.32) | — | |
| SCHEMBL22000060 | 0.48 | — | — | |
| SCHEMBL10758404 | 0.46 | — | — | |
| Water SCHEMBL28873582 | 0.43 | — | — | |
| SCHEMBL5533417 | 0.43 | — | — | |
| SCHEMBL6206429 | 0.43 | — | — | |
| SCHEMBL352871 | 0.43 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3605699-A1 | NEW COMPONENTS FOR ELECTROLYTE COMPOSITIONS | SOLVAY SA (BE) | 2020-02-05 | — | — | EP | disclosed |
| CN-104926883-B | The preparation method of the symmetrical double molybdenum structure complexs of methyl-carbithionic acid bridging | 同济大学 | 2017-11-07 | — | — | CN | disclosed |